2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile

C15H21N3 — CID 114018061

IUPAC2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile
SMILESCC(C)N1CCCC(N)C1c1ccccc1C#N
InChIInChI=1S/C15H21N3/c1-11(2)18-9-5-8-14(17)15(18)13-7-4-3-6-12(13)10-16/h3-4,6-7,11,14-15H,5,8-9,17H2,1-2H3
InChIKeyJBAXVHLRLCINQY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.43
Rot. Bonds2

About 2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile

2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile (PubChem CID 114018061) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile
PubChem CID114018061
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile
SMILESCC(C)N1CCCC(N)C1c1ccccc1C#N
InChIInChI=1S/C15H21N3/c1-11(2)18-9-5-8-14(17)15(18)13-7-4-3-6-12(13)10-16/h3-4,6-7,11,14-15H,5,8-9,17H2,1-2H3
InChIKeyJBAXVHLRLCINQY-UHFFFAOYSA-N
XLogP2.43
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile?
The IUPAC name of 2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile (CID 114018061) is 2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile.
What is the SMILES notation for 2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile?
The canonical SMILES for 2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile is CC(C)N1CCCC(N)C1c1ccccc1C#N.
What is the InChIKey of 2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile?
The InChIKey is JBAXVHLRLCINQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)18-9-5-8-14(17)15(18)13-7-4-3-6-12(13)10-16/h3-4,6-7,11,14-15H,5,8-9,17H2,1-2H3.
What are the key properties of 2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile?
2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-propan-2-ylpiperidin-2-yl)benzonitrile is sourced from PubChem (CID 114018061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).